4-[(1-methyl-1H-imidazol-2-yl)methyl]-2-(2-phenylethyl)morpholine

• ChemBase ID: 520038
• Molecular Formular: C17H23N3O
• Molecular Mass: 285.38402
• Monoisotopic Mass: 285.18411237
• SMILES: c1(n(ccn1)C)CN1CC(OCC1)CCc1ccccc1
• Canonical SMILES: Cn1ccnc1CN1CCOC(C1)CCc1ccccc1
• InChI: InChI=1S/C17H23N3O/c1-19-10-9-18-17(19)14-20-11-12-21-16(13-20)8-7-15-5-3-2-4-6-15/h2-6,9-10,16H,7-8,11-14H2,1H3
• InChIKey: KOYYSGSNXWEONQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-[(1-methyl-1H-imidazol-2-yl)methyl]-2-(2-phenylethyl)morpholine
• IUPAC Traditional name: 4-[(1-methylimidazol-2-yl)methyl]-2-(2-phenylethyl)morpholine
• Synonyms: 4-[(1-methyl-1H-imidazol-2-yl)methyl]-2-(2-phenylethyl)morpholine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.6655115
• LogD (pH = 7.4): 2.3650806
• Log P: 2.3919847
• Molar Refractivity: 84.4925 cm^3
• Polarizability: 32.806114 Å^3
• Polar Surface Area: 30.29 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 2.2
• LOG S: -2.72
• Polar Surface Area: 30.29 Å^2
• Rotatable Bonds: 5